0 mol 4 unq 0 iso 0 dist 9.63758 10.7798 5.39008 5.68131 7.29079 9.39293 numMergedOcc 0
1 mol 8 unq 0 iso 0 dist 8.68949 6.04779 7.74386 10.8849 9.42634 8.53141 numMergedOcc 0
2 mol 11 unq 0 iso 0 dist 7.91082 6.03194 8.34508 10.8713 5.47299 7.93357 numMergedOcc 0
3 mol 48 unq 0 iso 0 dist 5.35252 10.6637 9.79657 8.12843 8.52681 10.6247 numMergedOcc 0
4 mol 48 unq 1 iso 0 dist 5.35252 10.6637 9.79657 9.72202 9.98769 7.07594 numMergedOcc 0
5 mol 64 unq 0 iso 0 dist 8.52643 7.59945 5.45684 10.9916 8.6701 4.80256 numMergedOcc 0
6 mol 64 unq 1 iso 0 dist 8.52643 13.3239 7.76644 10.9916 8.6701 5.13486 numMergedOcc 0
7 mol 64 unq 2 iso 0 dist 5.41357 5.65551 5.45684 7.48046 8.6701 4.80256 numMergedOcc 0
8 mol 64 unq 3 iso 0 dist 5.41357 9.81422 7.76644 7.48046 8.6701 5.13486 numMergedOcc 0
9 mol 73 unq 0 iso 0 dist 7.45777 10.345 6.85356 7.85784 5.88827 8.50831 numMergedOcc 0
10 mol 73 unq 1 iso 0 dist 7.45777 10.345 6.85356 14.3054 9.66175 14.8359 numMergedOcc 0
11 mol 73 unq 2 iso 0 dist 7.45777 14.1204 7.32265 7.85784 5.88827 10.3098 numMergedOcc 0
12 mol 73 unq 3 iso 0 dist 7.45777 14.1204 7.32265 14.3054 9.66175 6.35914 numMergedOcc 0
13 mol 76 unq 0 iso 0 dist 5.73235 10.2556 9.26231 5.50078 9.50939 14.6307 numMergedOcc 0
14 mol 76 unq 1 iso 0 dist 7.48127 8.90561 9.26231 11.6853 9.50939 14.6307 numMergedOcc 0
15 mol 83 unq 0 iso 0 dist 7.2118 9.9201 7.9309 4.12785 5.13041 6.60457 numMergedOcc 0
16 mol 90 unq 0 iso 0 dist 9.06641 6.3566 7.94379 4.77556 7.01987 4.28396 numMergedOcc 0
17 mol 98 unq 0 iso 0 dist 6.30896 5.45089 5.26536 4.52783 4.36944 7.30094 numMergedOcc 0
18 mol 158 unq 0 iso 0 dist 9.96635 17.5374 8.95432 13.4119 7.76952 5.70473 numMergedOcc 0
19 mol 158 unq 1 iso 0 dist 9.96635 17.5374 8.95432 12.6695 9.98554 17.2865 numMergedOcc 0
20 mol 165 unq 0 iso 0 dist 9.8755 7.00425 7.8052 14.2934 8.00005 11.4281 numMergedOcc 0
21 mol 165 unq 1 iso 0 dist 7.21397 6.27901 7.8052 6.22764 8.00005 11.4281 numMergedOcc 0
22 mol 165 unq 2 iso 0 dist 8.46714 9.20479 7.8052 7.58478 8.00005 11.4281 numMergedOcc 0
23 mol 174 unq 0 iso 0 dist 8.16228 5.38744 9.56869 4.40064 8.60718 5.01986 numMergedOcc 0
24 mol 183 unq 0 iso 0 dist 8.97652 4.92164 9.84649 14.3669 8.69656 14.1568 numMergedOcc 0
25 mol 186 unq 0 iso 0 dist 6.72718 11.315 9.60838 8.09407 8.92335 5.21542 numMergedOcc 0
26 mol 192 unq 0 iso 0 dist 6.2016 6.16078 5.83093 9.82858 7.97601 9.42206 numMergedOcc 0
27 mol 204 unq 0 iso 0 dist 9.52029 13.8486 9.23669 16.0878 8.98633 5.41527 numMergedOcc 0
28 mol 205 unq 0 iso 0 dist 5.86839 6.38518 6.02053 4.51847 4.93303 6.20494 numMergedOcc 0
29 mol 205 unq 1 iso 0 dist 5.86839 6.38518 6.02053 10.9814 9.95859 8.39697 numMergedOcc 0
30 mol 205 unq 2 iso 0 dist 5.86839 7.86936 7.41663 4.51847 4.93303 5.10421 numMergedOcc 0
31 mol 205 unq 3 iso 0 dist 5.86839 7.86936 7.41663 10.9814 9.95859 12.776 numMergedOcc 0
32 mol 212 unq 0 iso 0 dist 7.6819 6.95437 9.1732 9.36407 9.49715 14.7991 numMergedOcc 0
33 mol 212 unq 1 iso 0 dist 6.36102 9.01479 9.1732 6.05395 9.49715 14.7991 numMergedOcc 0
34 mol 224 unq 0 iso 0 dist 6.23677 8.8161 8.96263 10.602 7.80646 6.81831 numMergedOcc 0
35 mol 224 unq 1 iso 0 dist 9.04741 9.46987 8.96263 9.49122 7.80646 6.81831 numMergedOcc 0
36 mol 224 unq 2 iso 0 dist 7.31608 3.92881 8.96263 6.23998 7.80646 6.81831 numMergedOcc 0
37 mol 224 unq 3 iso 0 dist 7.96226 3.92881 7.35677 6.23998 5.95109 6.81831 numMergedOcc 0
38 mol 224 unq 4 iso 0 dist 8.82663 11.6942 7.35677 4.93894 5.95109 6.81831 numMergedOcc 0
39 mol 239 unq 0 iso 0 dist 8.86185 10.1043 7.80073 6.16212 9.58325 7.79949 numMergedOcc 0
40 mol 239 unq 1 iso 0 dist 8.26312 13.8702 7.10828 10.9985 5.4687 10.0889 numMergedOcc 0
41 mol 239 unq 2 iso 0 dist 7.58554 8.46058 7.10828 10.9079 5.4687 10.0889 numMergedOcc 0
42 mol 244 unq 0 iso 0 dist 7.79787 8.64762 6.2667 4.80974 9.45199 7.17774 numMergedOcc 0
43 mol 244 unq 1 iso 0 dist 7.79787 8.64762 6.2667 13.59 9.07512 5.2958 numMergedOcc 0
44 mol 249 unq 0 iso 0 dist 3.67935 6.13333 5.70674 8.32339 9.04147 5.63037 numMergedOcc 0
45 mol 261 unq 0 iso 0 dist 6.0437 6.8395 9.38192 4.0136 7.14871 3.67073 numMergedOcc 0
46 mol 261 unq 1 iso 0 dist 6.0437 6.29331 6.99444 4.0136 7.14871 9.24385 numMergedOcc 0
47 mol 261 unq 2 iso 0 dist 4.85199 5.03102 9.38192 4.30068 7.14871 3.67073 numMergedOcc 0
48 mol 261 unq 3 iso 0 dist 4.85199 6.40309 6.99444 4.30068 7.14871 9.24385 numMergedOcc 0
49 mol 261 unq 4 iso 0 dist 9.13604 9.37836 9.38192 10.2597 7.14871 3.67073 numMergedOcc 0
50 mol 261 unq 5 iso 0 dist 9.13604 5.91745 6.99444 10.2597 7.14871 9.24385 numMergedOcc 0
51 mol 271 unq 0 iso 0 dist 9.50884 7.94329 5.76281 12.9579 9.97897 6.06968 numMergedOcc 0
52 mol 282 unq 0 iso 0 dist 6.04225 6.0405 6.51248 4.01024 7.21879 9.17043 numMergedOcc 0
53 mol 282 unq 1 iso 0 dist 5.00258 6.38947 6.51248 4.4471 7.21879 9.17043 numMergedOcc 0
54 mol 282 unq 2 iso 0 dist 8.22117 5.98603 6.51248 10.1631 7.21879 9.17043 numMergedOcc 0
